Browsing Fakultät für Chemie (inkl. GAUSS) by Referee "Schäfer, Tim Dr."
Now showing items 1-11 of 11
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Schwingungsspektroskopische Untersuchungen der Wasserstoffbrückendynamik in Alkohol-α-Hydroxyester-Komplexen aus topologischer und chiraler Perspektive
(2024-04-26)The success of an organocatalytic reaction in which the bond between substrate and catalyst is non-covalent, e.g. in the form of a hydrogen bond, is determined by the topology of the hydrogen bond in the prereactive complex. ... -
Of Resonances and Radicals – Hydrate Studies for Benchmarking
(2024-02-22)Theory experiment benchmarks are a valuable tool to improve quantum numerical methods. To provide experimental data suitable for benchmarking, this work focuses on the investigation of jet cooled hydrate clusters using ... -
Testing tube model predictions on semi-flexible polymer networks
(2023-11-13)The mechanical properties of simple entangled actin filament networks in eukaryotes are well understood as they are predictable with model systems. The high complexity of cellular actin structures like the cell cortex for ... -
Diols under Investigation: Benchmarking their Monomers, Dimers and Chirality Recognition
(2022-12-14)A large variety of different 1-2,-diols are investigated with regards to their monomers, dimers and chirality recognition. Jet-Raman and microwave spectroscopy are used to spectrally characterise the systems. The results ... -
Charakterisierung maßgeschneiderter makromolekularer Systeme: Analyse von photoschaltbaren Polymeren und Untersuchung der Wärmeleitfähigkeit von Polymeren und Polymernanokompositen
(2021-04-23)In this work, tailored azobenzene-based polymers were synthesized and characterized with respect to their isomerization kinetics, micro structure and thermal conductivity. Additionally, the thermal conductivity of ... -
Ion mobility mass spectrometry as a powerful tool to analyze complex macromolecular systems
(2021-02-01)Modern applications of polymers rely on intricately tailored macromolecules exhibiting very specific properties and therefore require extensive analysis. In this context, IMMS is an immensely powerful technique since it ... -
Tailoring the Mechanical Properties of Montmorillonite-Nanocomposites via Surface-Bound RAFT-Polymer
(2021-01-19)The successful preparation of Montmorillonite--polymer-nanocomposites with tailorable mechanical properties via surface grafting of RAFT polymers was presented. Strategies to precisely tune the properties of filler--matrix ... -
IR-Untersuchung von schwach gebundenen Molekülaggregaten im Überschallstrahl
(2020-11-16)Quantum chemical methods can be benchmarked by investigating cold and isolated molecular clusters in supersonic expansions via FTIR spectroscopy. The long absorption path necessary for sufficient intensity leads to a high ... -
Schwingungsspektroskopische Untersuchungen zur Chiralitätserkennung und Torsionsdynamik bei Alkoholen
(2020-10-20)In this thesis different implications of molecular chirality are explored by experimental and quantum chemical methods. Discriminating interactions between molecules of different handedness, termed chirality recognition, ... -
Intermolecular energy scales based on aromatic ethers and alcohols
(2019-09-03)The interplay between London dispersion interactions and hydrogen bonding is investigated by the binding preference of molecular scale systems in the gas phase. These molecular complexes consist of small alcohol molecules ... -
Theoretical Description of Hydrogen Atom Scattering off Noble Metals
(2016-07-01)I have constructed a full-dimensional potential energy surface (PES) for a H atom interacting with a Au(111) surface by fitting the analytic form of the Effective Medium Theory to density functional theory (DFT) energies. ...